| SpectraBase Spectrum ID |
4A77lp5kNM3 |
| Name |
4-Cyano MDMB-BUTINACA |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
26507 |
| Lot Number |
0565047-6 |
| Accessory |
DurasamplIR II |
| Apodization Function |
Norton-Beer, medium |
| CAS Registry Number |
1185888-30-5 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26N4O3 |
| IUPAC Name |
N-[[1-(4-Cyanobutyl)-1H-indazol-3-yl]carbonyl]-3-methyl-L-valine, methyl ester |
| InChI |
InChI=1S/C20H26N4O3/c1-20(2,3)17(19(26)27-4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-5-8-12-21/h6-7,10-11,17H,5,8-9,13H2,1-4H3,(H,22,25)/t17-/m1/s1 |
| InChIKey |
NXENAUQFMPGSRW-QGZVFWFLSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
370.453 g/mol |
| Purity |
>=98% |
| SMILES |
C(#N)CCCC[n]1nc(C(=O)N[C@@](C(C)(C)C)(C(OC)=O)[H])c2c1cccc2 |
| Scan Speed (number) |
5 |
| Solvent |
Dichloromethane |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
4CN-BINACA-ADB​ |
| Technique |
ATR-Film |
| UV - Neutral Conditions |
UVmax (nm): 210, 302 |
